PyOpenMS-Viz#

Welcome to PyOpenMS-Viz Documentation! PyOpenMS-Viz is a visualization package for mass spectrometry data directly from pandas dataframes

Key Features Include:

  • DataFrame Based Plotting - Plot directly from a pandas dataframe object

  • Interactive and Static Plotting - Multiple backends supported including matplotlib, bokeh and plotly.

  • Usage Flexibility - User-friendly web based dashboard for quick visualizations, advanced python package for more complex applications

Quick Start#

Installation#

pip install pyopenms-viz

Plotting a Spectrum#

import pandas as pd
ms_data = pd.read_csv("path/to/ms_data.csv")
pd.set_option("plotting.backend", "ms_bokeh") # try changing backend to "ms_plotly" or "ms_matplotlib"
ms_data.plot(x="m/z", y="intensity", kind="spectrum")

Plotting a Chromatogram#

import pandas as pd
ms_data = pd.read_csv("path/to/ms_data.csv")
pd.set_option("plotting.backend", "ms_bokeh") # try changing backend to "ms_plotly" or "ms_matplotlib"
ms_data.plot(x="rt", y="intensity", kind="chromatogram")

Support#

If you are having issues or would like to propose a new feature, please use the issues tracker.

License#

This project is licensed under the BSD 3-Clause license.

Citation#

If PyOpenMS-Viz was usefull in your research please cite the following:

User Guide#